2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol

C11H19N3O2 — CID 107268404

IUPAC2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCc1ccnn1C
InChIInChI=1S/C11H19N3O2/c1-9-11(15,4-6-16-9)8-12-7-10-3-5-13-14(10)2/h3,5,9,12,15H,4,6-8H2,1-2H3
InChIKeyQXLQYDCMKVDXKH-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.05
Rot. Bonds4

About 2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol

2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 107268404) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
PubChem CID107268404
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCc1ccnn1C
InChIInChI=1S/C11H19N3O2/c1-9-11(15,4-6-16-9)8-12-7-10-3-5-13-14(10)2/h3,5,9,12,15H,4,6-8H2,1-2H3
InChIKeyQXLQYDCMKVDXKH-UHFFFAOYSA-N
XLogP0.05
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100232
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
2-methyl-3-[[(1-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268345
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 106100251
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268149
3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268416
N-[(1-ethylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103735396
N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115757332
2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100262
2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106101046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol (CID 107268404) is 2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol is CC1OCCC1(O)CNCc1ccnn1C.
What is the InChIKey of 2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is QXLQYDCMKVDXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-11(15,4-6-16-9)8-12-7-10-3-5-13-14(10)2/h3,5,9,12,15H,4,6-8H2,1-2H3.
What are the key properties of 2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol?
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 225.29 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 107268404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).